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PUBCHEM-ZINC06795276

 MMsINC code: MMs03862816
Type: Neutral
Formula: C20H32O2
SMILES:   O(C)C1CC2CCC3C4CCC(=O)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C20H32O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h13-17H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,19+,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.474 g/mol  logS: -4.89179  SlogP: 4.6132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165157  Sterimol/B1: 2.18054  Sterimol/B2: 3.08424  Sterimol/B3: 4.11753
  Sterimol/B4: 6.82796  Sterimol/L: 14.2452 
 
 Surface and Volume Properties
  Accessible surface: 512.456  Positive charged surface: 397.473  Negative charged surface: 114.984  Volume: 320.375
  Hydrophobic surface: 442.603  Hydrophilic surface: 69.853
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.